BMRBj - BMREntryMaster

Found 1 Document (0.923 seconds)

BMRB: 15755

NMR Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a repeat sequence of human Sfi1 (R641-T660)

Authors

Martinez Sanz, J., Assairi, L., Blouquit, Y., Duchambon, P., Mouawad, L., Craescu, C.

Assembly

C-HsCen2/R17-HsSfi1 complex

Entity

1. C-HsCen2 (polymer, Thiol state: not present), 79 monomers, 9220.201 Da Detail

TQKMSEKDTK EEILKAFKLF DDDETGKISF KNLKRVAKEL GENLTDEELQ EMIDEADRDG DGEVSEQEFL RIMKKTSLY

2. R17-HsSfi1 (polymer, Thiol state: not present), 20 monomers, 2375.646 Da Detail

RADLHHQHSV LHRALQAWVT

Total weight

11595.848 Da

Max. entity weight

9220.201 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 50.3 %, Completeness (bb): 57.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	50.3 % (596 of 1186)	68.2 % (425 of 623)	20.8 % (95 of 456)	71.0 % (76 of 107)
Backbone	57.6 % (342 of 594)	88.1 % (178 of 202)	30.0 % (88 of 293)	76.8 % (76 of 99)
Sidechain	37.8 % (260 of 687)	58.7 % (247 of 421)	5.0 % (13 of 258)	0.0 % (0 of 8)
Aromatic	27.6 % (21 of 76)	55.3 % (21 of 38)	0.0 % (0 of 37)	0.0 % (0 of 1)
Methyl	43.0 % (43 of 100)	84.0 % (42 of 50)	2.0 % (1 of 50)

1. C-HsCen2

TQKMSEKDTK EEILKAFKLF DDDETGKISF KNLKRVAKEL GENLTDEELQ EMIDEADRDG DGEVSEQEFL RIMKKTSLY

2. R17-HsSfi1

RADLHHQHSV LHRALQAWVT

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 MM BUFFER;200 MM NACL;1.00 MM CACL2;PH 6.5; 1.00 MM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
1	C-HsCen2	[U-100% 15N]	1 mM
2	R17-HsSfi1	natural abundance	1 mM
3	DEUTERATED TRIS/HCL		20 mM
4	NACL		200 mM
5	CACL2		1 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 mM BUFFER;200 mM NACL;1.00 mM CACL2;PH 6.5; 1.00 mM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
6	C-HsCen2	[U-100% 13C; U-100% 15N]	1 mM
7	R17-HsSfi1	natural abundance	1 mM
8	DEUTERATED TRIS/HCL		20 mM
9	NACL		200 mM
10	CACL2		1 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 mM BUFFER;200 mM NACL;1.00 mM CACL2;PH 6.5; 1.00 mM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
11	C-HsCen2	natural abundance	1 mM
12	R17-HsSfi1	natural abundance	1 mM
13	DEUTERATED TRIS/HCL		20 mM
14	NACL		200 mM
15	CACL2		1 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 mM BUFFER;200 mM NACL;1.00 mM CACL2;PH 6.5; 1.00 mM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
16	C-HsCen2	natural abundance	1 mM
17	R17-HsSfi1	natural abundance	1 mM
18	DEUTERATED TRIS/HCL		20 mM
19	NACL		200 mM
20	CACL2		1 mM

Protein Blocks Logo

Calculated from 15 models in PDB: 2K2I, Strand ID: A, B Detail

Release date

2009-11-19

Citation

Structure, dynamics and thermodynamics of the human centrin 2/hSfi1 complex
Martinez-Sanz, J., Kateb, F., Assairi, L., Blouquit, Y., Bodenhausen, G., Abergel, D., Mouawad, L., Craescu, C.T.
J. Mol. Biol. (2010), 395, 191-204, PubMed 19857500 , DOI 10.1016/j.jmb.2009.10.041 , Abstract

Related entities 1. C-HsCen2, : 1 : 3 : 177 entities Detail

Related entities 2. R17-HsSfi1, : 2 : 3 entities Detail

Interaction partners 2. R17-HsSfi1, : 15 interactors Detail

More details for 15 interactors identified by 9 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 MM BUFFER;200 MM NACL;1.00 MM CACL2;PH 6.5; 1.00 MM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
1	C-HsCen2	[U-100% 15N]	1 mM
2	R17-HsSfi1	natural abundance	1 mM
3	DEUTERATED TRIS/HCL		20 mM
4	NACL		200 mM
5	CACL2		1 mM

2 2D DQF-COSY

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 mM BUFFER;200 mM NACL;1.00 mM CACL2;PH 6.5; 1.00 mM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
11	C-HsCen2	natural abundance	1 mM
12	R17-HsSfi1	natural abundance	1 mM
13	DEUTERATED TRIS/HCL		20 mM
14	NACL		200 mM
15	CACL2		1 mM

3 2D 1H-1H TOCSY

Instrument

Varian Unity - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
11	C-HsCen2	natural abundance	1 mM
12	R17-HsSfi1	natural abundance	1 mM
13	DEUTERATED TRIS/HCL		20 mM
14	NACL		200 mM
15	CACL2		1 mM

4 2D 1H-1H NOESY

Instrument

Varian Unity - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
11	C-HsCen2	natural abundance	1 mM
12	R17-HsSfi1	natural abundance	1 mM
13	DEUTERATED TRIS/HCL		20 mM
14	NACL		200 mM
15	CACL2		1 mM

5 3D HNCA

Instrument

Bruker DRX - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
6	C-HsCen2	[U-100% 13C; U-100% 15N]	1 mM
7	R17-HsSfi1	natural abundance	1 mM
8	DEUTERATED TRIS/HCL		20 mM
9	NACL		200 mM
10	CACL2		1 mM

6 3D HN(CO)CA

Instrument

Bruker DRX - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
6	C-HsCen2	[U-100% 13C; U-100% 15N]	1 mM
7	R17-HsSfi1	natural abundance	1 mM
8	DEUTERATED TRIS/HCL		20 mM
9	NACL		200 mM
10	CACL2		1 mM

7 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-HsCen2	[U-100% 15N]	1 mM
2	R17-HsSfi1	natural abundance	1 mM
3	DEUTERATED TRIS/HCL		20 mM
4	NACL		200 mM
5	CACL2		1 mM

8 3D 1H-15N TOCSY

Instrument

Bruker DRX - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	C-HsCen2	[U-100% 15N]	1 mM
2	R17-HsSfi1	natural abundance	1 mM
3	DEUTERATED TRIS/HCL		20 mM
4	NACL		200 mM
5	CACL2		1 mM

9 2D 1H-1H NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details DEUTERATED TRIS/HCL 20 mM BUFFER;200 mM NACL;1.00 mM CACL2;PH 6.5; 1.00 mM UNLABELED R17-SFI1

#	Name	Isotope labeling	Concentration
16	C-HsCen2	natural abundance	1 mM
17	R17-HsSfi1	natural abundance	1 mM
18	DEUTERATED TRIS/HCL		20 mM
19	NACL		200 mM
20	CACL2		1 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15755_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr15755_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	659		98.7 (chain: 1, length: 79), 70.0 (chain: 2, length: 20)
1	Chemical shift references	chemical_shift_reference_1	Warning	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 79, Sequence coverage: 98.7%
  - Entity_assembly_ID: 2, Chain length: 20, Sequence coverage: 70.0%
- Total number of assignments
  - ¹H chemical shifts: 508
  - ¹⁵N chemical shifts: 75
  - ¹³C chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	503	353	70.2
¹⁵N chemical shifts	87	75	86.2
¹³C chemical shifts	363	76	20.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	162	152	93.8
¹⁵N chemical shifts	79	75	94.9
¹³C chemical shifts	158	76	48.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	341	201	58.9
¹⁵N chemical shifts	8	0	0.0
¹³C chemical shifts	205	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	31	79.5
¹³C chemical shifts	39	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	14	58.3
¹³C chemical shifts	24	0	0.0

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
8	HIS	HD1	6.89
12	HIS	HD1	8.27

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	120	67	55.8
¹⁵N chemical shifts	25	0	0.0
¹³C chemical shifts	93	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	26	65.0
¹⁵N chemical shifts	20	0	0.0
¹³C chemical shifts	40	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	41	51.2
¹⁵N chemical shifts	5	0	0.0
¹³C chemical shifts	53	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	14	12	85.7
¹³C chemical shifts	14	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	14	7	50.0
¹⁵N chemical shifts	1	0	0.0
¹³C chemical shifts	13	0	0.0

Keywords Centrin 2, Human, Sfi1

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Found 1 Document (0.923 seconds)

BMRB: 15755

Sample #1

Sample #2

Sample #3

Sample #4

Related entities 1. C-HsCen2, : 1 : 3 : 177 entities Detail

Related entities 2. R17-HsSfi1, : 2 : 3 entities Detail

Interaction partners 2. R17-HsSfi1, : 15 interactors Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 4 contents Detail